Geometry & MOs

Info

ID:	67363
PubChem CID:	46506354
Reduced:	SN4O4H22C25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	494.126006
ΔH_f, kcal/mol:	-64.59
Dipole, Da:	5.41
IP(EA), eV:	-8.98(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-4-[1-[(4-nitrophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC=CC=C4C#N

DOS

IR

Vibrations